Chemical state analysis of a sample surface through fitting bell-shaped curves to x-ray photoelectron spectroscopic polymer data is reviewed using nylon to introduce and discuss aspects of data analysis. Different strategies for modeling chemistry in nylon spectra are presented and in so doing, a case is made to include in published science the design logic and implementation in terms of line shapes and optimization parameter constraints between components in a peak model. Imperfections in line shape relative to the true shape for photoemission lines, when compensated for using constraints to optimization parameters, are shown to provide chemical state information about a sample that justify, for peak models constructed with these limitations, metrics for goodness-of-fit different from those expected for pulse-counted data.

1.
G. H.
Major
,
N.
Fairley
,
P. M. A.
Sherwood
,
M. R.
Linford
,
J.
Terry
,
V.
Fernandez
, and
K.
Artyushkova
,
J. Vac. Sci. Technol. A
38
,
061203
(
2020
).
2.
B.
Moeini
,
M. R.
Linford
,
N.
Fairley
,
A.
Barlow
,
P.
Cumpson
,
D.
Morgan
,
V.
Fernandez
, and
J.
Baltrusaitis
,
Surf. Interface Anal.
54
, 67–77 (
2022
).
3.
K.
Harrison
and
L. B.
Hazell
,
Surf. Interface Anal.
18
,
368
(
1992
).
4.
P. J.
Cumpson
and
M. P.
Seah
,
Surf. Interface Anal.
18
,
345
(
1992
).
5.
G.
Beamson
and
D.
Briggs
,
High Resolution XPS of Organic Polymers the Scienta ESCA300 Database
, 1st ed. (Wiley, Chichester, 1992).
6.
N.
Fairley
 et al,
Appl. Surf. Sci. Adv.
5
,
100112
(
2021
).
7.
G. H.
Major
,
V.
Fernandez
,
N.
Fairley
, and
M. R.
Linford
,
Surf. Interface Anal.
54
,
262
(
2022
).
8.
M. C.
Biesinger
,
Appl. Surf. Sci.
597
,
153681
(
2022
).
9.
I. W.
Drummond
,
Surface Analysis by Auger X-Ray Photoelectron Spectroscopy
, edited by
D.
Briggs
,
J. T.
Grant
(
IMPublications, SurfaceSpectra
,
Chichester
,
2003
), p.
899
.
10.
A. M.
Mood
,
F. A.
Graybill
, and
D. C.
Boes
,
Introduction to the Theory of Statistics
, 3rd ed. (
McGraw Hill
, New York,
1973
).
11.
G. H.
Major
,
V.
Fernandez
,
N.
Fairley
,
E. F.
Smith
, and
M. R.
Linford
,
J. Vac. Sci. Technol. A
40
,
063201
(
2022
).
12.
M. C.
Biesinger
,
B. P.
Payne
,
A. P.
Grosvenor
,
L. W. M.
Lau
,
A. R.
Gerson
, and
R. S. C.
Smart
,
Appl. Surf. Sci.
257
,
2717
(
2011
).
13.
B. M.
Garland
,
N.
Fairley
,
N. C.
Strandwitz
,
R.
Thorpe
,
P.
Bargiela
, and
J.
Baltrusaitis
,
Appl. Surf. Sci.
598
,
153827
(
2022
).
14.
D. A.
Shirley
,
Phys. Rev. B
5
,
4709
(
1972
).
15.
S.
Tougaard
,
Surf. Interface Anal.
11
,
453
(
1988
).
16.
D.
Briggs
and
G.
Beamson
,
Anal. Chem.
64
,
1729
(
1992
).
17.
See supplementary material at https://doi.org/10.1116/6.0002196 for fitting statistics for pulse counted data (video 1), peak model creation and parameters constraints (video 2), the reason residual STD is expected to be unity for pulsed counted data (video 3), and an explanation on Shirley type background (video 4).

Supplementary Material

You do not currently have access to this content.